K289-0226 Screening compound: 4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide

K289-0226 Screening compound: 4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
K289-0226 Screening compound: 4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0226
4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K289-0226

Molecular Formula

C25H25N3O4S (C25 H25 N3 O4 S)

Compound Name

4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

C=CCN1C(SCC(c2ccccc2)=O)=Nc(cc(cc2)C(NCC3OCCC3)=O)c2C1=O

InChI

InChI=1S/C25H25N3O4S/c1-2-12-28-24(31)20-11-10-18(23(30)26-15-19-9-6-13-32-19)14-21(20)27-25(28)33-16-22(29)17-7-4-3-5-8-17/h2-5,7-8,10-11,14,19H,1,6,9,12-13,15-16H2,(H,26,30)/t19-/m1/s1

InChI Key

PAIXHODGCGZUBM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05025094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-3.18

Polar Surface Area

72.336

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

K289-0226 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K289-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0226?
Check Price and Availability of K289-0226, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K289-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0226
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K289-0226 available by request